ethyl 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-cyclohexylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-cyclohexylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[cyclohexanecarbonyl-[(9,10-dioxo-2-anthryl)sulfonyl]amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-[(9,10-dioxo-2-anthracenyl)sulfonyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[cyclohexanecarbonyl-(9,10-dioxoanthracen-2-yl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl-[(9,10-diketo-2-anthryl)sulfonyl]amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C33H29NO8S MolecularWeight: 599.65026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)C

InChI

InChI=1S/C33H29NO8S/c1-3-41-33(38)29-19(2)42-28-16-13-21(17-27(28)29)34(32(37)20-9-5-4-6-10-20)43(39,40)22-14-15-25-26(18-22)31(36)24-12-8-7-11-23(24)30(25)35/h7-8,11-18,20H,3-6,9-10H2,1-2H3